1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine

C15H23NO3S — CID 976573

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1C
InChIInChI=1S/C15H23NO3S/c1-4-19-14-8-9-15(13(3)12(14)2)20(17,18)16-10-6-5-7-11-16/h8-9H,4-7,10-11H2,1-3H3
InChIKeyBSTWYAWRLXAPCM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine

1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine (PubChem CID 976573) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
PubChem CID976573
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1C
InChIInChI=1S/C15H23NO3S/c1-4-19-14-8-9-15(13(3)12(14)2)20(17,18)16-10-6-5-7-11-16/h8-9H,4-7,10-11H2,1-3H3
InChIKeyBSTWYAWRLXAPCM-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine (CID 976573) is 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine is CCOc1ccc(S(=O)(=O)N2CCCCC2)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine?
The InChIKey is BSTWYAWRLXAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-19-14-8-9-15(13(3)12(14)2)20(17,18)16-10-6-5-7-11-16/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine?
1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine has a molecular weight of 297.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 976573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).